TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 410.438 | Formula: C23H23FN2O4
H donors: 0 H acceptors: 3 LogP: 2.46 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)CN1CCN(CCC1=O)C(=O)C=Cc1cccc(c1)F
InChi: 1S/C23H23FN2O4/c1-30-23(29)19-8-5-18(6-9-19)16-26-14-13-25(12-11-22(26)28)21(27)10-7-17-3-2-4-20(24)15-17/h2-10,15H,11-14,16H2,1H3/b10-7+
InChiKey: PBJXCXSBMKRMIP-JXMROGBWSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0063	0.014	0.1151
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.014	0.1151
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0063	0.014	0.1151
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0064	0.0143	0.0073
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0063	0.014	0.0069
Trypanosoma brucei	thymidylate kinase, putative	0.0138	0.0522	0.524
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0063	0.014	0.014
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.014	0.1151
Loa Loa (eye worm)	PDE1B protein	0.0063	0.014	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0063	0.014	0.0144
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0063	0.014	0.014
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0226	0.0967	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.014	0.1151
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0063	0.014	0.014
Brugia malayi	cation channel family protein	0.0075	0.0204	0.0134
Mycobacterium ulcerans	putative regulatory protein	0.0163	0.0648	0.0279
Schistosoma mansoni	hypothetical protein	0.0138	0.0522	0.5278
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0226	0.0967	1
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0063	0.014	0.1221
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0226	0.0967	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.014	0.1151
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0063	0.014	0.1221
Plasmodium falciparum	GAF domain-related protein, putative	0.0163	0.0648	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	conserved hypothetical protein	0.0226	0.0967	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	thymidylate kinase, putative	0.0138	0.0522	0.4621
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trypanosoma brucei	thymidylate kinase, putative	0.0138	0.0522	0.524
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0063	0.014	0.014
Brugia malayi	thymidylate kinase	0.0138	0.0522	0.0454
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0064	0.0143	0.0073
Treponema pallidum	thymidylate kinase (tmk)	0.0138	0.0522	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0063	0.014	0.1221
Plasmodium vivax	thymidylate kinase, putative	0.0138	0.0522	0.7524
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.014	0.0144
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0063	0.014	0.1151
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.0648	0.6141
Loa Loa (eye worm)	hypothetical protein	0.0047	0.006	0.0062
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0163	0.0648	0.0279
Leishmania major	hypothetical protein, conserved	0.0063	0.014	0.0504
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0163	0.0648	0.0279
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0063	0.014	0.1221
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Toxoplasma gondii	GAF domain-containing protein	0.0163	0.0648	1
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0063	0.014	0.014
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0226	0.0967	1
Mycobacterium leprae	conserved hypothetical protein	0.0163	0.0648	0.164
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0226	0.0967	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0063	0.014	0.1221
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0063	0.014	0.1221
Giardia lamblia	CDC8	0.0138	0.0522	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	thymidylate kinase, putative	0.0138	0.0522	0.4621
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.0648	0.6141
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0063	0.014	0.1221
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0063	0.014	0.0069
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0063	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.004	0.0025	0.0026
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0063	0.014	0.014
Toxoplasma gondii	hypothetical protein	0.0163	0.0648	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.014	0.1151
Mycobacterium ulcerans	thymidine phosphorylase	0.1024	0.5021	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0063	0.014	0.014
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0063	0.014	0.1151
Echinococcus granulosus	thymidylate kinase	0.0138	0.0522	0.0522
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.0138	0.0522	0.5
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.0289	0.1289	0.1704
Loa Loa (eye worm)	hypothetical protein	0.0063	0.014	0.0144
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.0289	0.1289	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0226	0.0967	1
Mycobacterium ulcerans	putative regulatory protein	0.0163	0.0648	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0065	0.0067
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0063	0.014	0.014
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0063	0.014	0.0069
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0226	0.0967	0.0967
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0063	0.014	0.1151
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0063	0.014	0.014
Chlamydia trachomatis	thymidylate kinase	0.0138	0.0522	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.0289	0.1289	0.1704
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0063	0.014	0.1221
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.0648	0.6141
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Toxoplasma gondii	hypothetical protein	0.0163	0.0648	1
Leishmania major	thymidylate kinase-like protein	0.0138	0.0522	0.4892
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.2004	1	1
Toxoplasma gondii	thymidylate kinase	0.0138	0.0522	0.7524
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0063	0.014	0.0069
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0226	0.0967	1
Trypanosoma brucei	hypothetical protein, conserved	0.0063	0.014	0.1151
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0063	0.014	0.1151
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0226	0.0967	0.0967
Echinococcus multilocularis	thymidine phosphorylase	0.1024	0.5021	0.5021
Schistosoma mansoni	thymidylate kinase	0.0138	0.0522	0.5278
Trypanosoma cruzi	thymidylate kinase, putative	0.0138	0.0522	0.524
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0063	0.014	0.0504
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0226	0.0967	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0063	0.014	0.0504
Loa Loa (eye worm)	thymidylate kinase	0.0138	0.0522	0.0539
Trypanosoma cruzi	thymidylate kinase, putative	0.0138	0.0522	0.524
Entamoeba histolytica	Thymidylate kinase, putative	0.0138	0.0522	0.5
Plasmodium falciparum	thymidylate kinase	0.0138	0.0522	0.7524
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0163	0.0648	0.0279
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.2004	1	1
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0063	0.014	0.1151
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0054	0.0096	0.0681
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0063	0.014	0.0144
Schistosoma mansoni	ryanodine receptor related	0.0049	0.0071	0.0496
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0063	0.014	0.014
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0063	0.014	0.1221
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0063	0.014	0.014
Schistosoma mansoni	thymidylate kinase	0.0138	0.0522	0.5278
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0061	0.0133	0.1146
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.0648	0.6141
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0063	0.014	0.1151
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0226	0.0967	0.0902
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.014	0.1151
Loa Loa (eye worm)	hypothetical protein	0.1941	0.9681	1
Loa Loa (eye worm)	hypothetical protein	0.1778	0.8854	0.9146
Plasmodium vivax	hypothetical protein, conserved	0.0163	0.0648	1
Echinococcus granulosus	thymidine phosphorylase	0.1024	0.5021	0.5021
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0226	0.0967	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Leishmania major	hypothetical protein, conserved	0.0063	0.014	0.0504
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0054	0.0096	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0226	0.0967	0.0999
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.1024	0.5021	1
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0063	0.014	0.1151
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Toxoplasma gondii	hypothetical protein	0.0163	0.0648	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Onchocerca volvulus	Putative thymidylate kinase	0.0138	0.0522	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0226	0.0967	1
Echinococcus multilocularis	thymidylate kinase	0.0138	0.0522	0.0522

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 809293